(4-nitrophenyl)methyl 4-chloranyl-3-methylsulfonyl-benzoate

Systemtic Name: (4-nitrophenyl)methyl 4-chloranyl-3-methylsulfonyl-benzoate Openeye Name: (4-nitrophenyl)methyl 4-chloro-3-methylsulfonyl-benzoate CAS Name: 4-chloro-3-methylsulfonylbenzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-chloro-3-methylsulfonylbenzoate Traditional Name: 4-chloro-3-mesyl-benzoic acid (4-nitrobenzyl) ester Formula: C15H12ClNO6S MolecularWeight: 369.77688

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H12ClNO6S/c1-24(21,22)14-8-11(4-7-13(14)16)15(18)23-9-10-2-5-12(6-3-10)17(19)20/h2-8H,9H2,1H3